Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "57fa6894fd6e3bcfbacd4bfd5bf712a7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.115,
"b": 70.072,
"c": 57.228,
"alpha": 90.00,
"beta": 92.52,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.120,2.090],
"number_observations": 171341,
"number_observations_unique": 25007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.090],
"number_observations": 12058,
"number_observations_unique": 1739,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.187
},
{
"type": "R(meas)",
"value": 2.366
},
{
"type": "R(pim)",
"value": 0.895
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 83.100
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.219
}
]
},
{
"resolution_limits": [70.120,8.880],
"number_observations": 2072,
"number_observations_unique": 353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}